(2R)-N-aminocarbonyl-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-N-aminocarbonyl-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: (2R)-N-carbamoyl-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide Traditional Name: (2R)-2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-propionamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)NC(=O)N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6O2S/c1-12(16(25)21-17(19)26)27-18-23-22-15(14-7-9-20-10-8-14)24(18)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,19,21,25,26)/t12-/m1/s1